Compound Detail
CHEMBL2171128
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Basic Information
| ChEMBL ID | CHEMBL2171128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNDDOAWIHYNTOI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.74
ALogP
5
HBA
1
HBD
72.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 8.49 | 7.745 | 3.2 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.34 | 6.34 | 457.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.13 | 6.13 | 741.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 1 CHEMBL6029 | IC50 | 4.92 | 4.92 | 12080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylat... | 22827572 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cel... | 22827572 |
| Aurora kinase B | IC50 | = | 457.0 | nM | 6.34 | Inhibition of Aurora B | 22827572 |
| Tyrosine-protein kinase Lck | IC50 | = | 741.0 | nM | 6.13 | Inhibition of LCK | 22827572 |
| Eukaryotic translation initiation factor 2-alpha kinase 1 | IC50 | = | 12080.0 | nM | 4.92 | Inhibition of HRI assessed as EIF2AK1 phosphorylation | 22827572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22827572 | 10.1021/jm300713s | Eukaryotic translation initiation factor 2-alpha kinase 3 | 3 |
| 22827572 | 10.1021/jm300713s | Unchecked | 2 |
| 30108900 | 10.1039/C7MD00510E | Eukaryotic translation initiation factor 2-alpha kinase 3 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek11 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek10 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek9 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek7 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek6 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek5 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek4 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek3 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek2 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek1 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
| 22827572 | 10.1021/jm300713s | Eukaryotic translation initiation factor 2-alpha kinase 1 | 1 |
| 22827572 | 10.1021/jm300713s | Interferon-induced, double-stranded RNA-activated protein kinase | 1 |
| 22827572 | 10.1021/jm300713s | Aurora kinase B | 1 |
| 22827572 | 10.1021/jm300713s | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine